3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one

C16H13NO7 — CID 89116863

IUPAC3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
SMILESCOc1c(O)cc2oc(-c3ccc(O)cc3O)c(N)c(=O)c2c1O
InChIInChI=1S/C16H13NO7/c1-23-16-9(20)5-10-11(14(16)22)13(21)12(17)15(24-10)7-3-2-6(18)4-8(7)19/h2-5,18-20,22H,17H2,1H3
InChIKeyYRRZHERNVOZUQR-UHFFFAOYSA-N
MW331.28 g/mol
LogP1.87
Rot. Bonds2

About 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one

3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one (PubChem CID 89116863) has the molecular formula C16H13NO7 and a molecular weight of 331.28 g/mol. Its IUPAC name is 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one.

Molecular Properties

Compound Name3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
PubChem CID89116863
Molecular FormulaC16H13NO7
Molecular Weight331.28 g/mol
Exact Mass331.07
IUPAC Name3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
SMILESCOc1c(O)cc2oc(-c3ccc(O)cc3O)c(N)c(=O)c2c1O
InChIInChI=1S/C16H13NO7/c1-23-16-9(20)5-10-11(14(16)22)13(21)12(17)15(24-10)7-3-2-6(18)4-8(7)19/h2-5,18-20,22H,17H2,1H3
InChIKeyYRRZHERNVOZUQR-UHFFFAOYSA-N
XLogP1.87
TPSA146.38 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 68942801
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
CID 70183681
4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxybenzaldehyde
CID 142903601
5,7-dihydroxy-2-(4-hydroxyphenyl)selanyl-6-methoxychromen-4-one
CID 172843365
[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite
CID 24840571
magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)
CID 11585501
1,3-dihydroxy-2,5,6,7-tetramethoxyxanthen-9-one
CID 91189315
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one;2-(3,4-dihydroxyphenyl)-6-hydroperoxy-5,7-dihydroxy-3-methoxychromen-4-one
CID 161246973
[2-hydroxy-5-(3,5,7-trihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate
CID 131835076
cyclohexane-1,2,3,4,5,6-hexol;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 70292403

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
The IUPAC name of 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one (CID 89116863) is 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one.
What is the SMILES notation for 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
The canonical SMILES for 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one is COc1c(O)cc2oc(-c3ccc(O)cc3O)c(N)c(=O)c2c1O.
What is the InChIKey of 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
The InChIKey is YRRZHERNVOZUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO7/c1-23-16-9(20)5-10-11(14(16)22)13(21)12(17)15(24-10)7-3-2-6(18)4-8(7)19/h2-5,18-20,22H,17H2,1H3.
What are the key properties of 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one has a molecular weight of 331.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one is sourced from PubChem (CID 89116863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).